SCHEMBL5568148

SCHEMBL5568148

COc1cccc(NC(=O)CN(C)c2cc(C(=N)N)ccc2CNC(=O)c2cc(OC)c(C)c(OC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.48
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5567716 0.93 ALDH1A1 (0.43) PLAUF2EPHX2SMN1; SMN2POLB
SCHEMBL5568169 0.91 ALDH1A1 (0.51) HPGDF2SMN1; SMN2POLBALDH1A1
SCHEMBL5568637 0.91 MAPT (0.42) PLAUF2F10EPHX2SMN1; SMN2
SCHEMBL5567456 0.89 ALDH1A1 (0.52) F2PRSS1EPHX2SMN1; SMN2ALDH1A1
SCHEMBL5565590 0.88 ALDH1A1 (0.42) PLAUGAAHPGDF2F10
SCHEMBL5563505 0.88 UBE2N (0.45) F2F10PRSS1SMN1; SMN2POLB
SCHEMBL5563126 0.87 NOTUM (0.48) GAAHPGDSMN1; SMN2POLBALDH1A1
SCHEMBL5565420 0.85 KDM4E (0.41) HPGDF2F10PRSS1EPHX2
SCHEMBL5563884 0.84 KDM4E (0.40) HPGDF2F10PRSS1SMN1; SMN2
SCHEMBL5568085 0.83 NPC1 (0.42) GAAF2F10SMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 US claimed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 PLAU 57/4885GAA 873/4885HPGD 3724/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.